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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2,3,4-trimethoxyphenyl)methanone [(3S)-3-[3-(4-chlorophenyl)-1,2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 8.63 -17 0 8 0 87 457.914 6 ↓

Analogs

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Popular Name: [(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2,3,4-trimethoxyphenyl)methanone [(3R)-3-[3-(4-chlorophenyl)-1,2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 8.63 -14.81 0 8 0 87 457.914 6 ↓

Analogs

4889901
4889901
6321575
6321575
6321576
6321576
6322836
6322836
6322837
6322837

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Popular Name: (4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone (4-chlorophenyl)-[3-[3-(4-fluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 -0.06 -11.05 0 5 0 59 385.826 3 ↓

Analogs

6321575
6321575
6321576
6321576
6322836
6322836
6322837
6322837
33780205
33780205

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Popular Name: (4-chlorophenyl)-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone (4-chlorophenyl)-[3-[3-(4-fluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.85 -0.05 -11.03 0 5 0 59 385.826 3 ↓

Analogs

4889980
4889980
4911597
4911597
4911602
4911602
4914160
4914160
4914170
4914170

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Popular Name: [3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-tert-butylphenyl)-methanone [3-[3-(4-isopropylphenyl)-1,2,4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.23 1.3 -11.94 0 5 0 59 431.58 5 ↓

Analogs

4914160
4914160
4914170
4914170
5074289
5074289
5074290
5074290
6563469
6563469

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(4-tert-butylphenyl)-methanone [3-[3-(4-isopropylphenyl)-1,2,4-…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.23 1.31 -11.92 0 5 0 59 431.58 5 ↓

Parameters Provided:

ring.id = 180045
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 180045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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